CID 3056586

73806-50-5

Structural Information

Molecular Formula
C16H22F3NO
SMILES
CN(C)CC1CCCCC1(C2=CC(=CC=C2)C(F)(F)F)O
InChI
InChI=1S/C16H22F3NO/c1-20(2)11-14-6-3-4-9-15(14,21)12-7-5-8-13(10-12)16(17,18)19/h5,7-8,10,14,21H,3-4,6,9,11H2,1-2H3
InChIKey
FQHRHNWWJQHEHW-UHFFFAOYSA-N
Compound name
2-[(dimethylamino)methyl]-1-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.16534 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.17262 169.2
[M+Na]+ 324.15456 174.3
[M-H]- 300.15806 171.2
[M+NH4]+ 319.19916 185.9
[M+K]+ 340.12850 171.0
[M+H-H2O]+ 284.16260 160.0
[M+HCOO]- 346.16354 184.0
[M+CH3COO]- 360.17919 206.5
[M+Na-2H]- 322.14001 171.0
[M]+ 301.16479 161.9
[M]- 301.16589 161.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.